![2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol structure](/static/products/849/849017-87-4.png)
2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol
TL;DR: 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol (CAS 849017-87-4) is a chemical compound with molecular formula C23H32N4O3S2 and molecular weight 476.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]amino]ethoxy]ethanol
Also Known As: 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol, 2-(2-{[2,2-dimethyl-5-(2-methylpropyl)-10-(methylsulfanyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}ethoxy)ethanol
| Molecular Formula | C23H32N4O3S2 |
|---|---|
| Molecular Weight | 476.19 g/mol |
| LogP | 4.432 |
| Topological Polar Surface Area | 89.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 476.1916 |
| Heavy Atoms | 32 |
| Complexity | 1113.994 |
Chemical Identifiers
| CAS Number | 849017-87-4 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC(=N4)SC)NCCOCCO |
Product Overview
2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol (CAS 849017-87-4), with molecular formula C23H32N4O3S2 and molecular weight 476.19 g/mol. IUPAC: 2-[2-[[4,4-dimethyl-8-(2-methylpropyl)-15-methylsulfanyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]amino]ethoxy]ethanol.
Chemical Property Profile of 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol
Property Insights of 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol
The XLogP value of 4.432 indicates that 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol. Following Lipinski's Rule of Five, 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol?
The CAS number of 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol is 849017-87-4.
What is the molecular formula of 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol?
The molecular formula of 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol is C23H32N4O3S2.
What is the molecular weight of 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol?
The molecular weight of 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol is 476.19 g/mol.
Where can I buy 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol?
You can request a quote for 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-((5-isobutyl-2,2-dimethyl-10-(methylthio)-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)ethoxy)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.